2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine

C13H21ClN4O — CID 82460824

IUPAC2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCN2CCOCC2)nc(Cl)n1
InChIInChI=1S/C13H21ClN4O/c1-2-3-11-10-12(17-13(14)16-11)15-4-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyXWLCOQALMDPNFV-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.83
Rot. Bonds6

About 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine

2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine (PubChem CID 82460824) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine
PubChem CID82460824
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCN2CCOCC2)nc(Cl)n1
InChIInChI=1S/C13H21ClN4O/c1-2-3-11-10-12(17-13(14)16-11)15-4-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyXWLCOQALMDPNFV-UHFFFAOYSA-N
XLogP1.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82460544
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
2-chloro-6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 106192920
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 82460809
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
2-cyclopropyl-6-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80956267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine (CID 82460824) is 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCCN2CCOCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine?
The InChIKey is XWLCOQALMDPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-2-3-11-10-12(17-13(14)16-11)15-4-5-18-6-8-19-9-7-18/h10H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine?
2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine has a molecular weight of 284.79 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 82460824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).